Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester
TL;DR: Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester (CAS 31472-46-5) is a chemical compound with molecular formula C13H15F3O5S and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-2-[4-(trifluoromethylsulfonyl)phenoxy]propanoate
Also Known As: Ethyl p-trifluoromethylsulfonylphenoxyisobutyrate, Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester, Ethyl 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)propanoate, ethyl 2-methyl-2-[4-(trifluoromethylsulfonyl)phenoxy]propanoate, ethyl 2-methyl-2-{4-[(trifluoromethyl)sulfonyl]phenoxy}propanoate
| Molecular Formula | C13H15F3O5S |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.05923 |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 31472-46-5 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F |
| InChIKey | SOEMGZMZNINGPN-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester (CAS 31472-46-5), with molecular formula C13H15F3O5S and molecular weight 340.06 g/mol. IUPAC: ethyl 2-methyl-2-[4-(trifluoromethylsulfonyl)phenoxy]propanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester
Property Insights of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester
The XLogP value of 3.2 indicates that Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester?
The CAS number of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester is 31472-46-5.
What is the molecular formula of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester?
The molecular formula of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester is C13H15F3O5S.
What is the molecular weight of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester?
The molecular weight of Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester is 340.06 g/mol.
Where can I buy Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester?
You can request a quote for Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)sulfonyl)phenoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.